Information card for entry 7038287

Structure parameters

• Formula: C11 H4 Cu N O6.22
• Calculated formula: C11.5 H4 Cu N O5.5
• Title of publication: CO2 adsorption of three isostructural metal-organic frameworks depending on the incorporated highly polarized heterocyclic moieties.
• Authors of publication: Song, Chengling; Ling, Yajing; Jin, Liting; Zhang, Mingxing; Chen, De-Li; He, Yabing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 190 - 197
• a: 18.7632 ± 0.0007 Å
• b: 18.7632 ± 0.0001 Å
• c: 38.6558 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11785.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No